General Information of the Compound
| Compound ID |
CP0443401
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| Compound Name |
US9346798, 101
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| Structure |
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| Formula |
C21H17F3N4O3S2
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| Molecular Weight |
494.52
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| Canonical SMILES |
CC[C@H]1CN(c2ccc(cc2O1)S(=O)(=O)Nc1nccs1)c1ccc(cc1C#N)C(F)(F)F
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| InChI |
InChI=1S/C21H17F3N4O3S2/c1-2-15-12-28(17-5-3-14(21(22,23)24)9-13(17)11-25)18-6-4-16(10-19(18)31-15)33(29,30)27-20-26-7-8-32-20/h3-10,15H,2,12H2,1H3,(H,26,27)/t15-/m0/s1
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| InChIKey |
PENOKWBKAHLQSK-HNNXBMFYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha